6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C23H30O — CID 90715574

IUPAC6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCOc1ccc(C)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O/c1-15-8-9-21(24-7)18(12-15)17-14-20-19(13-16(17)2)22(3,4)10-11-23(20,5)6/h8-9,12-14H,10-11H2,1-7H3
InChIKeyXLAKILAKSQJQSN-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.33
Rot. Bonds2

About 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 90715574) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID90715574
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCOc1ccc(C)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H30O/c1-15-8-9-21(24-7)18(12-15)17-14-20-19(13-16(17)2)22(3,4)10-11-23(20,5)6/h8-9,12-14H,10-11H2,1-7H3
InChIKeyXLAKILAKSQJQSN-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

acetaldehyde;ethane;[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methanimine
CID 142215384
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 141035604
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462769
(5E)-5-[[2-hydroxy-4-methoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462768
(5Z)-5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2,4-dione
CID 10196390

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 90715574) is 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is COc1ccc(C)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is XLAKILAKSQJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-15-8-9-21(24-7)18(12-15)17-14-20-19(13-16(17)2)22(3,4)10-11-23(20,5)6/h8-9,12-14H,10-11H2,1-7H3.
What are the key properties of 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 322.49 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 90715574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).